copanlisib   Click here for help

GtoPdb Ligand ID: 7875

Synonyms: Aliqopa® | BAY 80-6946 | BAY80-6946
Approved drug PDB Ligand
copanlisib is an approved drug (FDA (2017))
Compound class: Synthetic organic
Comment: Copanlisib is a phosphoinositide 3-kinase (PI3K) inhibitor [2], preferentially inhibiting PI3Kα and PI3Kβ, and with significant antineoplastic activity [3]. The compound has less potent mTOR activity.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 142.01
Molecular weight 480.22
XLogP 1.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES COc1c(OCCCN2CCOCC2)ccc2c1nc(NC(=O)c1cnc(nc1)N)n1c2=NCC1
Isomeric SMILES COc1c(OCCCN2CCOCC2)ccc2c1nc(NC(=O)c1cnc(nc1)N)n1c2=NCC1
InChI InChI=1S/C23H28N8O4/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32)
InChI Key PZBCKZWLPGJMAO-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2017))
IUPAC Name Click here for help
2-amino-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl]pyrimidine-5-carboxamide
International Nonproprietary Names Click here for help
INN number INN
9726 copanlisib
Synonyms Click here for help
Aliqopa® | BAY 80-6946 | BAY80-6946
Database Links Click here for help
CAS Registry No. 1032568-63-0
ChEMBL Ligand CHEMBL3218576
DrugCentral Ligand 5256
GtoPdb PubChem SID 223366204
PubChem CID 24989044
RCSB PDB Ligand 6E2
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Wikipedia Copanlisib